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Journal of Molecular Modeling|November 6, 2020
Strengthening mechanisms of graphene in copper matrix nanocomposites: A molecular dynamics studyYuhang Zhang, Qing An, Jiejie Li, et al.Journal of Molecular Modeling|October 27, 2020
Phase stability, brittle-ductile transition, and electronic structures of the TiAl alloying with Fe, Ru, Ge, and Sn: a first-principle investigationZ K Yin, J S Chen, P L Zhang, et al.Journal of Molecular Modeling|October 20, 2020
Design of novel molecules with considerable optical properties based on polymer of BODIPY moleculesMasoomeh Mehrabpour, Hamid Reza Shamlouei, Homayoon BahramiJournal of Molecular Modeling|January 10, 2023
Theoretic measure and thermal properties of a standard Morse potential modelC A Onate, I B Okon, U E Vincent, et al.Journal of Molecular Modeling|January 10, 2023
In silico peptide-based therapeutics against human colorectal cancer by the activation of TLR5 signaling pathwaysMd Rubel Hossen, Sourav Biswas, Md Ackas Ali, et al.Journal of Molecular Modeling|January 10, 2023
Xanthatin and 8-epi-xanthatin as new potential colchicine binding site inhibitors: a computational studyDaniel Alpízar-Pedraza, Ania de la Nuez Veulens, Yoanna María Álvarez Ginarte, et al.Journal of Molecular Modeling|December 24, 2022
Mechanism of Erzhiwan in treating osteoporosis based on molecular docking technology and molecular dynamics simulationYanling Li, Ziliang Li, Tongsheng Ye, et al.Journal of Molecular Modeling|December 27, 2022
Nowotny-Juza phase KBeX (X = N, P, As, Sb, and Bi) half-Heusler compounds: applicability in photovoltaics and thermoelectric generatorsPallavi Verma, Chandravir Singh, Peeyush Kumar Kamlesh, et al.Journal of Molecular Modeling|January 3, 2023
High-performance non-fullerene acceptor-analogues designed from dithienothiophen [3,2-b]-pyrrolobenzothiadiazole (TPBT) donor materialsFaheem Abbas, Mohsen D Mohammadi, Hitler Louis, et al.Journal of Molecular Modeling|January 17, 2023
The adsorption of single Au atom and nucleation on γ-Al2O3 surfacesSong Hu, Peijie Wang, Rui Gao, et al.Pageof 695